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Chemical ID: 6525864
Chemical ID:
6525864
Name [?]:
N-(5-cyclopropylcarbonylamino-2-methoxy-phenyl)cyclopropanecarboxamide
SMILES [?]:
COc1ccc(cc1NC(=O)C2CC2)NC(=O)C3CC3
InChi [?]:
InChI=1/C15H18N2O3/c1-20-13-7-6-11(16-14(18)9-2-3-9)8-12(13)17-15(19)10-4-5-10/h6-10H,2-5H2,1H3,(H,16,18)(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,19,20,13,14,5,4,7,18,12,6,8,3,16,10,15,9,17,11,2/E:(2,3)(4,5)/rA:20nCOCCCCCCNCOCCCNCOCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s12s13;s6;s15;d16;s16;s18;s18s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18N2O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.41369 |
Area: | 485.546 |
Solvation: | -3.72495 |
Coulombic: | -46.968 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 274.315 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 0.86 |
LogP (Chemaxon): | 1.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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